Density functional theory study of CO2 adsorption on Cu-doped WO3 av Muldong, Renz Mikhail C.

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Computational evaluation of NaFe [BP₂O₇(OH)₃] and NaNi [BP₂O₇(OH)₃] as cathode materials for sodium ion batteries av Arila, Ruel J. Jr

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Machine Learning-accelerated Density Functional Theory (ML-DFT) screening of bimetallic transition metal surfaces based on single-atom adsorption energy predictions av Tomacruz, Jan Goran T.

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Towards a new class of computationally predicted carbon-based two-dimensional nanomaterials: a density functional theory (DFT) study on alkaline earth doped graphene for oxygen red... av Serraon, Ace Christian F.

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Statistical complexity applications in electronic structure

Available for University of the Philippines Diliman via SpringerLink. Click here to access

Density functional theory an advanced course av Engel, Eberhard, Dreizler, Reiner M.

Available for UP System via Springer Link.

Density functional theory a practical introduction av Sholl, David S., Steckel, Janice A.

Density functional study of three dimensional water hexamers in the quantum cluster equilibrium model av Geronimo, Inacrist M.

Electronic structure calculations for solids and molecules theory and computational methods. av Kohanoff, Jorge

Solvent effects on chemical shielding CSGT-DFT studies using the polarizable continuum model av Manalo, Marlon N.

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